SpecialRotamerRotSetOps.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file   protocols/toolbox/RotamerSetOperations/SpecialRotamerRotSetOps.hh
/// @brief  classes for rigid body movement during rotamer packing
/// @author Florian Richter, floric@u.washington.edu, sep 2009

#ifndef INCLUDED_protocols_toolbox_rotamer_set_operations_SpecialRotamerRotSetOps_hh
#define INCLUDED_protocols_toolbox_rotamer_set_operations_SpecialRotamerRotSetOps_hh

// Unit Headers
#include <protocols/toolbox/rotamer_set_operations/SpecialRotamerRotSetOps.fwd.hh>
#include <core/pack/rotamer_set/RotamerSetOperation.hh>

//Project headers
#include <core/conformation/Residue.fwd.hh>
#include <core/graph/Graph.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/rotamer_set/RotamerSet.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

#include <utility/vector1.hh>

#ifdef WIN32
  #include <core/graph/Graph.hh>
#endif


namespace protocols {
namespace toolbox {
namespace rotamer_set_operations {

class SpecialRotamerRSO : public core::pack::rotamer_set::RotamerSetOperation
{
public:
  typedef core::pack::rotamer_set::RotamerSetOperation parent;
  typedef core::Real Real;
  typedef core::Size Size;

  SpecialRotamerRSO( core::Size seqpos );
  SpecialRotamerRSO( SpecialRotamerRSO const & src );
  ~SpecialRotamerRSO();

  virtual
  core::pack::rotamer_set::RotamerSetOperationOP
  clone() const;

  virtual
  void
  alter_rotamer_set(
    core::pose::Pose const & pose,
    core::scoring::ScoreFunction const & sfxn,
    core::pack::task::PackerTask const & ptask,
    core::graph::GraphCOP packer_neighbor_graph,
    core::pack::rotamer_set::RotamerSet & rotamer_set
  );

  virtual //virtual or not?
  void
  set_new_rots(
    core::pack::rotamer_set::Rotamers & new_rots
  );

private:
  core::Size seqpos_;
  core::pack::rotamer_set::Rotamers new_rots_;

};

} //namespace rotamer_set_operations
} //namespace toolbox
} //namespace protocols

#endif